N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide

C9H15F2NO3 — CID 104858103

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO3/c1-6-2-3-15-7(6)8(14)12-4-9(10,11)5-13/h6-7,13H,2-5H2,1H3,(H,12,14)
InChIKeyZHVORCJREJKNKW-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.16
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide (PubChem CID 104858103) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide
PubChem CID104858103
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO3/c1-6-2-3-15-7(6)8(14)12-4-9(10,11)5-13/h6-7,13H,2-5H2,1H3,(H,12,14)
InChIKeyZHVORCJREJKNKW-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide (CID 104858103) is N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide?
The InChIKey is ZHVORCJREJKNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-6-2-3-15-7(6)8(14)12-4-9(10,11)5-13/h6-7,13H,2-5H2,1H3,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide has a molecular weight of 223.22 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 104858103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).